N-{2-[6-oxo-4-(piperidin-1-yl)-1,6-dihydropyridazin-1-yl]ethyl}benzamide

• ChemBase ID: 765712
• Molecular Formular: C18H22N4O2
• Molecular Mass: 326.39288
• Monoisotopic Mass: 326.17427596
• SMILES: c1c(=O)n(ncc1N1CCCCC1)CCNC(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)NCCn1ncc(cc1=O)N1CCCCC1
• InChI: InChI=1S/C18H22N4O2/c23-17-13-16(21-10-5-2-6-11-21)14-20-22(17)12-9-19-18(24)15-7-3-1-4-8-15/h1,3-4,7-8,13-14H,2,5-6,9-12H2,(H,19,24)
• InChIKey: BWASYLQHNLPTKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[6-oxo-4-(piperidin-1-yl)-1,6-dihydropyridazin-1-yl]ethyl}benzamide
• IUPAC Traditional name: N-{2-[6-oxo-4-(piperidin-1-yl)pyridazin-1-yl]ethyl}benzamide
• Synonyms: N-{2-[6-oxo-4-(1-piperidinyl)-1(6H)-pyridazinyl]ethyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.990115
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3287288
• LogD (pH = 7.4): 1.3287297
• Log P: 1.3287297
• Molar Refractivity: 94.7579 cm^3
• Polarizability: 34.79843 Å^3
• Polar Surface Area: 65.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.48
• LOG S: -2.85
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 5